| SpectraBase Spectrum ID |
4R9OL1QODGs |
| Name |
LNAPE 6:0/N-26:7 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
N-acyl-lysophosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
677.405654886 u |
| Formula |
C37H60NO8P |
| InChI |
InChI=1S/C37H60NO8P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-29-36(40)38-31-32-45-47(42,43)46-34-35(39)33-44-37(41)30-27-6-4-2/h5,7,9-10,12-13,15-16,18-19,21-22,24-25,35,39H,3-4,6,8,11,14,17,20,23,26-34H2,1-2H3,(H,38,40)(H,42,43)/b7-5-,10-9-,13-12-,16-15-,19-18-,22-21-,25-24- |
| InChIKey |
ZVYVBSRZVZRIMJ-XYHAFBFLNA-N |
| Ion Polarity |
N |
| Literature Reference |
Tsugawa, H.; Ikeda, K.; Takahashi, M.; Satoh, A.; Mori, Y.; Uchino, H.; Okahashi, N.; Yamada, Y.; Tada, I.; Bonini, P.; Higashi, Y.; Okazaki, Y.; Zhou, Z.; Zhu, Z.-J.; Koelmel, J.; Cajka, T.; Fiehn, O.; Saito, K.; Arita, M.; Arita, M. A Lipidome Atlas in MS-DIAL 4. Nature Biotechnology 2020, 38 (10), 1159–1163. |
| Literature Reference DOI |
https://doi.org/10.1038/s41587-020-0531-2 |
| Precursor Ion |
[M-H]- |
| SMILES |
CCCCCC(=O)OCC(O)COP(O)(=O)OCCNC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
